2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine

C15H16ClNO — CID 63941169

IUPAC2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
SMILESCc1cc(Cl)ccc1Oc1cccc(CCN)c1
InChIInChI=1S/C15H16ClNO/c1-11-9-13(16)5-6-15(11)18-14-4-2-3-12(10-14)7-8-17/h2-6,9-10H,7-8,17H2,1H3
InChIKeyWQJXYWROTJEUNT-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.94
Rot. Bonds4

About 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine

2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine (PubChem CID 63941169) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
PubChem CID63941169
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
SMILESCc1cc(Cl)ccc1Oc1cccc(CCN)c1
InChIInChI=1S/C15H16ClNO/c1-11-9-13(16)5-6-15(11)18-14-4-2-3-12(10-14)7-8-17/h2-6,9-10H,7-8,17H2,1H3
InChIKeyWQJXYWROTJEUNT-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22687843
2-[3-(2-iodophenoxy)phenyl]ethanamine
CID 63941765
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine (CID 63941169) is 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine is Cc1cc(Cl)ccc1Oc1cccc(CCN)c1.
What is the InChIKey of 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine?
The InChIKey is WQJXYWROTJEUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-9-13(16)5-6-15(11)18-14-4-2-3-12(10-14)7-8-17/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine?
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63941169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).